Along the systematization of the application of small molecules to probe protein function, it follows that the results of screening are put into a well-structured format, that is, a format where chemical structures and biological activities are correlated. Two initiatives, ChemBank and PubChem, in this direction have been initiated, which have very similar objectives, to create a public, Web-based informatics environment, with data derived from small molecules and small-molecule screens. The intention of such databases is to guide the chemist in their synthesis of novel compounds or libraries, and assist biologists, who are exploring small molecules that perturb certain biological pathways. These databases contain an increasingly varied set of cell measurements derived from biological objects and cell lines treated with small molecules. Moreover, analysis tools are available and are being developed that allow the relationships between cell states, cell measurements, and small molecules to be determined.
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